ERROR for Q-grid search

Concerns any physical issues arising during the setup step (-i option). This includes problems with symmetries, k/q-point sets, and so on. For technical problems (running in parallel, etc), refer to the Technical forum.

Moderator: Daniele Varsano

ERROR for Q-grid search

Postby hplan » Thu Mar 24, 2011 9:53 am

Dear Developers:

I came to an error when running initialization, and the error reads as
Code: Select all
[ERROR] STOP signal received while in :[03] Transferred momenta grid
[ERROR]Error in Q-grid search [qindx_X]

My binary version is GPL Version 3.2.3 Revision 696.

Would you please give me some hints on this issue ? Is it due to my calculation on KSS dataset or others ?

Thank you.

Best,

Haiping
Hai-Ping LAN,
Department Of Electronics,
Peking University, 100871,Beijing, CHINA
hplan
 
Posts: 58
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Re: ERROR for Q-grid search

Postby Daniele Varsano » Thu Mar 24, 2011 11:20 am

Dear Hai-Ping,
a possible source of this error, is that you ground state calculation has be done with
a non-unifomr k-grid sampling. Check it, and eventually post your ground state output.

Cheers,

Daniele
Dr. Daniele Varsano
S3-CNR Institute of Nanoscience and MaX Center, Italy
MaX - Materials design at the Exascale
http://www.nano.cnr.it
http://www.max-centre.eu/
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Daniele Varsano
 
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